Subject: Database for Molecular Binding and Recognition

From: "Dr. Mike Gilson" <[email-masked]>
Date: Wed, 9 Jul 1997 12:23:08 -0400 (EDT)

Dear Colleagues,

We are interested in creating a publicly accessible database
containing information on noncovalent binding affinities, with an
emphasis on biomolecules. Such a database could be useful in a range
of applications, including drug-discovery and the development of
computational models for predicting affinities. We hope to establish a
stable, expanding resource that will be helpful to many scientists
over a period of years.

This is a complex and somewhat ill-defined task, however. It is
necessary to define the scope of the data to be included, to implement
the database effectively, and to establish mechanisms for filling and
maintaining it.  Before taking these steps, we would like to learn of
any similar efforts in the scientific community in order to avoid
duplication of effort. We also would like to consult with people
interested in using the database, whether as depositors or users of
the data. Finally, we would like to be sure that the utility of this
database will justify the effort of creating it. This message, then,
is to solicit your advice and suggestions on these topics.

In order to permit a general exchange of views, we have established a
web-site that will allow comments and subsequent discussion to be
posted publicly. The URL is http://db3.sdsc.edu/DbNcB/.  We would very
much appreciate your participation. 

With best regards,

Phil Bourne                              Mike Gilson
San Diego Supercomputer Center           Center for Advanced Research in Biotechnology
                                         [email-masked]

Nick Hodge                               Craig Wilcox
Computer-Aided Drug Design Group         Department of Chemistry
The DuPont Merck Pharmaceutical Company  University of Pittsburgh